N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine

C14H31N3 — CID 60893438

IUPACN'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
SMILESCCCN1CCC(C(C)NCCCCN)CC1
InChIInChI=1S/C14H31N3/c1-3-10-17-11-6-14(7-12-17)13(2)16-9-5-4-8-15/h13-14,16H,3-12,15H2,1-2H3
InChIKeyLQMVONNDXBUPQY-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.83
Rot. Bonds8

About N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine

N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine (PubChem CID 60893438) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
PubChem CID60893438
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
SMILESCCCN1CCC(C(C)NCCCCN)CC1
InChIInChI=1S/C14H31N3/c1-3-10-17-11-6-14(7-12-17)13(2)16-9-5-4-8-15/h13-14,16H,3-12,15H2,1-2H3
InChIKeyLQMVONNDXBUPQY-UHFFFAOYSA-N
XLogP1.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine (CID 60893438) is N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine is CCCN1CCC(C(C)NCCCCN)CC1.
What is the InChIKey of N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine?
The InChIKey is LQMVONNDXBUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-3-10-17-11-6-14(7-12-17)13(2)16-9-5-4-8-15/h13-14,16H,3-12,15H2,1-2H3.
What are the key properties of N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine?
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 60893438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).